(1-cyanoindolizin-2-yl)methyl 3-bromanyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 3-bromanyl-4-ethoxy-5-methoxy-benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 3-bromo-4-ethoxy-5-methoxy-benzoate CAS Name: 3-bromo-4-ethoxy-5-methoxybenzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 3-bromo-4-ethoxy-5-methoxybenzoate Traditional Name: 3-bromo-4-ethoxy-5-methoxy-benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C20H17BrN2O4 MolecularWeight: 429.26398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)OCC2=CN3C=CC=CC3=C2C#N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)OCC2=CN3C=CC=CC3=C2C#N)OC

InChI

InChI=1S/C20H17BrN2O4/c1-3-26-19-16(21)8-13(9-18(19)25-2)20(24)27-12-14-11-23-7-5-4-6-17(23)15(14)10-22/h4-9,11H,3,12H2,1-2H3